Information card for entry 8107211

Structure parameters

• Formula: C15 H11 N O4
• Calculated formula: C15 H11 N O4
• Title of publication: Crystal structure of methyl 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, C15H11NO4
• Authors of publication: Peng, Wei; Yang, Jicai; Yue, Yu; Deng, Xin; Jiang, Wujiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 769 - 771
• a: 8.0909 ± 0.0006 Å
• b: 24.4463 ± 0.0018 Å
• c: 12.698 ± 0.001 Å
• α: 90°
• β: 96.602 ± 0.001°
• γ: 90°
• Cell volume: 2494.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No